FEBRUARY 15, 2024 Journal Article Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a4 - states of CH and CF ( Read More )
FEBRUARY 15, 2024 Journal Article Physics-informed machine learning of the correlation functions in bulk fluids ( Read More )
FEBRUARY 15, 2024 Journal Article Capturing the Coverage Dependence of Aromatics' Adsorption Through Mean-Field Models ( Read More )
FEBRUARY 15, 2024 Journal Article Revealing Excited State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Water-Anatase TiO2(101) Interface Structure Using Infrared Signatures and Molecular Dynamics ( Read More )
FEBRUARY 15, 2024 Journal Article Refined views of ancient ocean chemistry: Tracking trace element incorporation in pyrite framboids using atom probe tomography ( Read More )
FEBRUARY 15, 2024 Journal Article Exploring NaCl-PuCl3 Molten Salts with Machine Learning Interatomic Potentials and Graph Theory ( Read More )
FEBRUARY 15, 2024 Journal Article Determining Catalytically Relevant Surfaces Through Coverage-Dependent Lattice Gas Models: Carbon Adsorption on Fe(100) ( Read More )
FEBRUARY 15, 2024 Journal Article Alkene adsorption and cracking on acidic zeolites – A gradual process of understanding ( Read More )
FEBRUARY 15, 2024 Journal Article Harnessing the Hybridization of a Metal-Organic Framework and Superbase-Derived Ionic Liquid for High-Performance Direct Air Capture of CO2 ( Read More )
FEBRUARY 15, 2024 Journal Article (NH4)2[UO2Cl4]·2H2O, a new uranyl tetrachloride with ammonium charge-balancing cations ( Read More )
FEBRUARY 15, 2024 Journal Article Efficient and Selective Dual-Pathway Polyolefin Hydro-Conversion over Unexpectedly Bifunctional M/TiO2-Anatase Catalysts ( Read More )
FEBRUARY 15, 2024 Journal Article Chemical Grafting of Highly Dispersed VOx/CeO2 for Increased Catalytic Activity in Methanol Oxidative Dehydrogenation ( Read More )
FEBRUARY 15, 2024 Journal Article Acetone to isobutene conversion on ZnxTiyOz: Effects of TiO2 facet ( Read More )
FEBRUARY 15, 2024 Journal Article Highly Active and Selective Sites for Propane Dehydrogenation in Zeolite Ga-BEA ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Effect of Ion Exchange Protocol on the Copper Exchange Efficacy, Copper Siting, and SCR activity in Cu-SSZ-13 ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
FEBRUARY 15, 2024 Journal Article Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe-N-C Materials ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Reaction Pathways of Veratrylglycero-ß-guaiacyl Ether Degradation Over Metal-Free Solid Acid Catalyst with Hydrogen ( Read More )